triphenyl-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phosphanium tetrafluoroborate

C28H32BF4OP — CID 10458709

IUPACtriphenyl-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phosphanium tetrafluoroborate
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C2.F[B-](F)(F)F
InChIInChI=1S/C28H32OP.BF4/c1-27(2)22-19-20-28(27,3)26(21-22)29-30(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25;2-1(3,4)5/h4-18,22,26H,19-21H2,1-3H3;/q+1;-1/t22-,26+,28+;/m1./s1
InChIKeyPNAZMNWNLXZXMJ-SRYVKRMGSA-N
MW502.34 g/mol
LogP7.43
Rot. Bonds5

About triphenyl-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phosphanium tetrafluoroborate

triphenyl-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phosphanium tetrafluoroborate (PubChem CID 10458709) has the molecular formula C28H32BF4OP and a molecular weight of 502.34 g/mol. Its IUPAC name is triphenyl-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phosphanium tetrafluoroborate.

Molecular Properties

Compound Nametriphenyl-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phosphanium tetrafluoroborate
PubChem CID10458709
Molecular FormulaC28H32BF4OP
Molecular Weight502.34 g/mol
Exact Mass502.22
IUPAC Nametriphenyl-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phosphanium tetrafluoroborate
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C2.F[B-](F)(F)F
InChIInChI=1S/C28H32OP.BF4/c1-27(2)22-19-20-28(27,3)26(21-22)29-30(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25;2-1(3,4)5/h4-18,22,26H,19-21H2,1-3H3;/q+1;-1/t22-,26+,28+;/m1./s1
InChIKeyPNAZMNWNLXZXMJ-SRYVKRMGSA-N
XLogP7.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.34
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze triphenyl-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phosphanium tetrafluoroborate with MolForge

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Related Compounds

[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] benzoate
CID 100810555
2-[2-iodo-1-(2-methylphenyl)ethoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 114774646
2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]benzoic acid
CID 3664892
(1S,2S,4R)-1,7,7-trimethyl-2-[4-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phenoxy]bicyclo[2.2.1]heptane
CID 6581459
(1S,2S,4S)-1,7,7-trimethyl-2-[4-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phenoxy]bicyclo[2.2.1]heptane
CID 99978546
2-[1-(2-chlorophenyl)-2-iodoethoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 114774676
[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-phenylpropanoate
CID 102316654
(1S,2S,4S)-1,7,7-trimethyl-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]bicyclo[2.2.1]heptane
CID 101328279
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (2S)-2-phenylbutanoate
CID 15524551
(1R,2R,4R)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 12859587
(1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 59093744
2-(1-methoxy-2-phenylethenoxy)-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 70124138

Frequently Asked Questions

What is the IUPAC name of triphenyl-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phosphanium tetrafluoroborate?
The IUPAC name of triphenyl-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phosphanium tetrafluoroborate (CID 10458709) is triphenyl-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phosphanium tetrafluoroborate.
What is the SMILES notation for triphenyl-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phosphanium tetrafluoroborate?
The canonical SMILES for triphenyl-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phosphanium tetrafluoroborate is CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C2.F[B-](F)(F)F.
What is the InChIKey of triphenyl-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phosphanium tetrafluoroborate?
The InChIKey is PNAZMNWNLXZXMJ-SRYVKRMGSA-N. The full InChI is InChI=1S/C28H32OP.BF4/c1-27(2)22-19-20-28(27,3)26(21-22)29-30(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25;2-1(3,4)5/h4-18,22,26H,19-21H2,1-3H3;/q+1;-1/t22-,26+,28+;/m1./s1.
What are the key properties of triphenyl-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phosphanium tetrafluoroborate?
triphenyl-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phosphanium tetrafluoroborate has a molecular weight of 502.34 g/mol, XLogP of 7.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phosphanium tetrafluoroborate is sourced from PubChem (CID 10458709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).